N-[(3,5-dimethoxy-4-tetradecoxy-phenyl)methyl]-N-[3-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]ethanamide bromide

Systemtic Name: N-[(3,5-dimethoxy-4-tetradecoxy-phenyl)methyl]-N-[3-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]ethanamide bromide Openeye Name: N-[(3,5-dimethoxy-4-tetradecoxy-phenyl)methyl]-N-[3-[(5-methylthiazol-3-ium-3-yl)methyl]phenyl]acetamide bromide CAS Name: N-[(3,5-dimethoxy-4-tetradecoxyphenyl)methyl]-N-[3-[(5-methyl-3-thiazol-3-iumyl)methyl]phenyl]acetamide bromide IUPAC Name: N-[(3,5-dimethoxy-4-tetradecoxyphenyl)methyl]-N-[3-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]acetamide bromide Traditional Name: N-(3,5-dimethoxy-4-myristyloxy-benzyl)-N-[3-[(5-methylthiazol-3-ium-3-yl)methyl]phenyl]acetamide bromide Formula: C36H53BrN2O4S MolecularWeight: 689.78602

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=C(C=C(C=C1OC)CN(C2=CC=CC(=C2)C[N+]3=CSC(=C3)C)C(=O)C)OC.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=C(C=C1OC)CN(C2=CC=CC(=C2)C[N+]3=CSC(=C3)C)C(=O)C)OC.[Br-]

InChI

InChI=1S/C36H53N2O4S.BrH/c1-6-7-8-9-10-11-12-13-14-15-16-17-21-42-36-34(40-4)23-32(24-35(36)41-5)27-38(30(3)39)33-20-18-19-31(22-33)26-37-25-29(2)43-28-37;/h18-20,22-25,28H,6-17,21,26-27H2,1-5H3;1H/q+1;/p-1